2-(1,3-dioxoisoindol-2-yl)-N-(4-pentylphenyl)acetamide

C21H22N2O3 — CID 26776950

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(4-pentylphenyl)acetamide
SMILESCCCCCc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C21H22N2O3/c1-2-3-4-7-15-10-12-16(13-11-15)22-19(24)14-23-20(25)17-8-5-6-9-18(17)21(23)26/h5-6,8-13H,2-4,7,14H2,1H3,(H,22,24)
InChIKeyJCRUSARDEKFRBY-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.65
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)-N-(4-pentylphenyl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(4-pentylphenyl)acetamide (PubChem CID 26776950) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(4-pentylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(4-pentylphenyl)acetamide
PubChem CID26776950
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(4-pentylphenyl)acetamide
SMILESCCCCCc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C21H22N2O3/c1-2-3-4-7-15-10-12-16(13-11-15)22-19(24)14-23-20(25)17-8-5-6-9-18(17)21(23)26/h5-6,8-13H,2-4,7,14H2,1H3,(H,22,24)
InChIKeyJCRUSARDEKFRBY-UHFFFAOYSA-N
XLogP3.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(4-butylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2204148
2-[(4-hexylanilino)methyl]isoindole-1,3-dione
CID 3095699
2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide
CID 23824241
N-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]phenyl]hexanamide
CID 7960039
N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7658806
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174
N-[4-(dibutylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 3347715
2-(4-decylanilino)isoindole-1,3-dione
CID 20696092
2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide
CID 177420701
N-(4-heptylphenyl)heptanamide
CID 101077737
N-[4-[acetyl(methyl)amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2905131
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-pentylphenyl)acetamide
CID 43007214

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-pentylphenyl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-pentylphenyl)acetamide (CID 26776950) is 2-(1,3-dioxoisoindol-2-yl)-N-(4-pentylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(4-pentylphenyl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(4-pentylphenyl)acetamide is CCCCCc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(4-pentylphenyl)acetamide?
The InChIKey is JCRUSARDEKFRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-2-3-4-7-15-10-12-16(13-11-15)22-19(24)14-23-20(25)17-8-5-6-9-18(17)21(23)26/h5-6,8-13H,2-4,7,14H2,1H3,(H,22,24).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(4-pentylphenyl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(4-pentylphenyl)acetamide has a molecular weight of 350.42 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(4-pentylphenyl)acetamide is sourced from PubChem (CID 26776950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).